2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

C18H17N5OS — CID 35859078

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cn2ccsc2n1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H17N5OS/c24-17(9-16-12-23-7-8-25-18(23)21-16)20-10-14-1-3-15(4-2-14)11-22-6-5-19-13-22/h1-8,12-13H,9-11H2,(H,20,24)
InChIKeyXBIOQQVYMPBYAW-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.50
Rot. Bonds6

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 35859078) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID35859078
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cn2ccsc2n1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H17N5OS/c24-17(9-16-12-23-7-8-25-18(23)21-16)20-10-14-1-3-15(4-2-14)11-22-6-5-19-13-22/h1-8,12-13H,9-11H2,(H,20,24)
InChIKeyXBIOQQVYMPBYAW-UHFFFAOYSA-N
XLogP2.50
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(pyridin-3-ylmethyl)acetamide
CID 35511835
N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
CID 55781902
2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818035
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138380152
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 18139618
2-(4-chlorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34906705
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 121122860
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-nitrophenyl)acetamide
CID 134027757
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17439083

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (CID 35859078) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cc1cn2ccsc2n1)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is XBIOQQVYMPBYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c24-17(9-16-12-23-7-8-25-18(23)21-16)20-10-14-1-3-15(4-2-14)11-22-6-5-19-13-22/h1-8,12-13H,9-11H2,(H,20,24).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 351.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 35859078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).